4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=4148.802767528432 stress="-743.4159663393522 -439.30333975673994 7.546650520384463 -439.30333975673994 -807.344371082826 48.130242794267225 7.546650520384463 48.130242794267225 -396.7805166280529" pbc="F T F"
Bk       0.14928882       0.13782741       0.09246776   -8933.31225176   -5449.62265089   -4439.57122013 
Bk       1.52942663       1.36134796       0.03329708    9656.05165529    6512.61702883   -2531.76654380 
Bk       1.46619336       0.00505312       1.78210359    4640.50659010    1914.11320897    2867.26773603 
Bk       0.03099388       1.68949463       1.48587218   -5363.24599363   -2977.10758691    4104.07002790